SCHEMBL5866519

SCHEMBL5866519

O=C(O)c1cccc2c1C(=O)c1c(C(=O)O)cccc1-2

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.81
MAPT P10636 2/20 0.81
LMNA P02545 1/20 0.81
L3MBTL1 Q9Y468 1/20 0.74
POLB P06746 1/20 0.64
KDM4E B2RXH2 1/20 0.54
HNF4A P41235 1/20 0.53
LIG1 P18858 1/20 0.53
HSD17B10 Q99714 1/20 0.52
MYC P01106 1/20 0.52
FTO Q9C0B1 1/20 0.51
ALOX15 P16050 1/20 0.50
TTR P02766 1/20 0.49
NPC1 O15118 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL69960 0.93 ALDH1A1 (0.85) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL69132 0.91 ALDH1A1 (0.88) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL16224286 0.90 MAPT (0.68) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL581124 0.90 ALDH1A1 (1.00) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL69716 0.88 ALDH1A1 (0.69) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL461660 0.85 ALDH1A1 (1.00) ALDH1A1MAPTLMNAL3MBTL1POLB
Anthraquinone SCHEMBL8941397 0.85 ALDH1A1 (1.00) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL23723959 0.85 FTO (0.73) ALDH1A1MAPTLMNAL3MBTL1POLB
Hydrochloric Acid SCHEMBL8675457 0.84 ALDH1A1 (0.96) ALDH1A1MAPTLMNAL3MBTL1POLB
SCHEMBL70265 0.83 ALDH1A1 (0.63) ALDH1A1MAPTLMNAL3MBTL1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349822-B1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
EP-1349822-B1 FLUORINATED AROMATIC COMPOUNDS AND THE USE OF THE SAME IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2016-09-28 EP disclosed
US-20160124330-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, METHOD FOR MANUFACTURING THE SAME, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-05-05 US disclosed
WO-2014178258-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, METHOD FOR MANUFACTURING THE SAME, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2014-11-06 WO disclosed
US-7018685-B2 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures MERCK PATENT GMBH (DE) 2006-03-28 US disclosed
US-20040124399-A1 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures MERCK PATENT GMBH (DE) 2004-07-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040124399-A1 Fluorinated aromatic compounds and the use of the same in liquid crystal mixtures AFF1, AFF2, FLI1 ALDH1A1 2672/4885MAPT 1288/4885LMNA 1591/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.